Phenyl p-Toluenesulfonate

Name: Phenyl p-Toluenesulfonate
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CAS No. 640-60-8
Cat. No. CS-0153019
Molecule weight248.30
Purity≥98%
MDL No.MFCD00025996

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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General Information

CAS No. 640-60-8
Cat. No. CS-0153019
Purity ≥98%
MDL No. MFCD00025996
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₁₂O₃S
Molecular Weight 248.30
Synonym(s) p-Toluenesulfonic Acid Phenyl Ester
SMILES CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2

Description

Phenyl p-toluenesulfonate serves as a robust arylating agent in nucleophilic substitution reactions. This bench-stable, moisture-tolerant reagent facilitates efficient ether and ester synthesis under mild conditions. The electron-deficient aromatic ring enhances reactivity toward soft nucleophiles, enabling selective functionalization in complex molecular architectures.

Application

Phenyl p-toluenesulfonate serves as a reliable aryl sulfate ester for nucleophilic aromatic substitution and transesterification reactions. Its bench-stable nature and predictable reactivity enable efficient O- and C-arylation workflows, particularly in the synthesis of biaryl ethers and heterocyclic scaffolds. The tosyl group provides excellent leaving-group ability under mild conditions while maintaining compatibility with diverse functional groups.

Safety Information

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GHS Pictogram :	GHS No : GHS05,GHS07
Signal Word : Danger	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H318-H335
Precautionary Statements : P260-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P305+P351+P338-P310-P312-P330-P332+P313-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 43.37
LogP 2.76272
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 3

Other Classifications

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Phenyl p-Toluenesulfonate

CAS No. 640-60-8

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